1,12-Dodecanediol, 2,2,11,11-tetramethyl-

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Basic information

CAS: 5658-47-9
Standard SMILES: CC(C)(CO)CCCCCCCCC(C)(C)CO
InChIKey: QXDHBNHGLUNWRI-UHFFFAOYSA-N
Molecular formula: C16H34O2
Average molar mass: 258.44 g/mol
Monoisotopic mass: 258.25588032

Names & identifiers

Preferred name: 1,12-Dodecanediol, 2,2,11,11-tetramethyl-
IUPAC: 2,2,11,11-tetramethyldodecane-1,12-diol
English name: 2,2,11,11-tetramethyldodecane-1,12-diol
Molecular formula: C16H34O2
Molecular weight: 258.44

Names & synonyms

2,2,11,11-Tetramethyl-1,12-dodecanediol1,12-Dodecanediol, 2,2,11,11-tetramethyl-5658-47-9DTXSID80205132RefChem:214146DTXCID801276232,2,11,11-tetramethyldodecane-1,12-diolSCHEMBL11082433QXDHBNHGLUNWRI-UHFFFAOYSA-N

Database identifiers

CAS: 5658-47-9
PubChem CID: 200100
DTXSID: DTXSID80205132

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 18
Formal charge: 0
Complexity: 175

Related reactions

1 records

New reaction record

HRID 1262826As reactantuspto-grants-1984_06

Compound notes

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